Summary

IMPPAT Phytochemical identifier: IMPHY006533

Phytochemical name: p-Mentha-1,4-dien-7-al

Synonymous chemical names:
1,4-p-menthadien-7-al, p-mentha-1,4-dien-7-al

External chemical identifiers:
CID:6429112, SureChEMBL:SCHEMBL229974

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Chemical structure information

SMILES:
O=CC1=CCC(=CC1)C(C)C

InChI:
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,6-8H,4-5H2,1-2H3

InChIKey:
NIBUJHLMVJZODW-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCC=CC6))CC)C

Functional groups:
CC=C(C)C, CC=C(C)C=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC=CC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Monocyclic monoterpenoids

NP-Likeness score: 2

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Chemical structure download